| General Property |
| Molceule ID (DB) | EGIN0002606 |
| Inhibitor Class | Hydroxybiphenyl |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | (2R)-2,4,4-trimethylpentyl 4-[4-tert-butyl-2-(methoxymethoxy)phenyl]benzoate |
| Formula | C27H38O4 |
| Mass | 426.5882 |
| Exact Mass | 426.2770097 |
| Composition | C (76.02%), H (8.98%), O (15%) |
| Atom Count | 69 |
| PI | No isoelectric point. |
| Smiles | COCOc1c(ccc(c1)C(C)(C)C)c1ccc(cc1)C(=O)OC[C@H](C)CC(C)(C)C |
| InChI | 1S/C27H38O4/c1-19(16-26(2,3)4)17-30-25(28)21-11-9-20(10-12-21)23-14-13-22(27(5,6)7)15-24(23)31-18-29
-8/h9-15,19H,16-18H2,1-8H3/t19-/m1/s1 |
| InChIKey | QEFZDJLXQKYPDY-LJQANCHMSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 7473597 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
10694789
|
| Drug Bank Link | - |
| ChemSpider Link | 8677960 |
| ChEMBL Link | CHEMBL357695 |
